[3-(2-hydroxyethylamino)-3-[(7-methylsulfanyl-4H-quinolin-1-yl)sulfanyl]-3-phenyl-propyl] ethanoate

Systemtic Name: [3-(2-hydroxyethylamino)-3-[(7-methylsulfanyl-4H-quinolin-1-yl)sulfanyl]-3-phenyl-propyl] ethanoate Openeye Name: [3-(2-hydroxyethylamino)-3-[(7-methylsulfanyl-4H-quinolin-1-yl)sulfanyl]-3-phenyl-propyl] acetate CAS Name: acetic acid [3-(2-hydroxyethylamino)-3-[[7-(methylthio)-4H-quinolin-1-yl]thio]-3-phenylpropyl] ester IUPAC Name: [3-(2-hydroxyethylamino)-3-[(7-methylsulfanyl-4H-quinolin-1-yl)sulfanyl]-3-phenylpropyl] acetate Traditional Name: acetic acid [3-(2-hydroxyethylamino)-3-[[7-(methylthio)-4H-quinolin-1-yl]thio]-3-phenyl-propyl] ester Formula: C23H28N2O3S2 MolecularWeight: 444.61002

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCC(C1=CC=CC=C1)(NCCO)SN2C=CCC3=C2C=C(C=C3)SC

Isomeric SMILES

CC(=O)OCCC(C1=CC=CC=C1)(NCCO)SN2C=CCC3=C2C=C(C=C3)SC

InChI

InChI=1S/C23H28N2O3S2/c1-18(27)28-16-12-23(24-13-15-26,20-8-4-3-5-9-20)30-25-14-6-7-19-10-11-21(29-2)17-22(19)25/h3-6,8-11,14,17,24,26H,7,12-13,15-16H2,1-2H3